3,3-bis(5-methyl-2-propan-2-yl-cyclohexyl)-1-(1,2,4-triazol-1-yl)butan-2-one

Systemtic Name: 3,3-bis(5-methyl-2-propan-2-yl-cyclohexyl)-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 3,3-bis(2-isopropyl-5-methyl-cyclohexyl)-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 3,3-bis(5-methyl-2-propan-2-ylcyclohexyl)-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 3,3-bis(5-methyl-2-propan-2-ylcyclohexyl)-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 3,3-bis(2-isopropyl-5-methyl-cyclohexyl)-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C26H45N3O MolecularWeight: 415.655

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(C)(C2CC(CCC2C(C)C)C)C(=O)CN3C=NC=N3)C(C)C

Isomeric SMILES

CC1CCC(C(C1)C(C)(C2CC(CCC2C(C)C)C)C(=O)CN3C=NC=N3)C(C)C

InChI

InChI=1S/C26H45N3O/c1-17(2)21-10-8-19(5)12-23(21)26(7,25(30)14-29-16-27-15-28-29)24-13-20(6)9-11-22(24)18(3)4/h15-24H,8-14H2,1-7H3